Zheng Guangrong, Parkin Sean, Dwoskin Linda P, Crooks Peter A
Department of Pharmaceutical Sciences, College of Pharmacy, University of Kentucky, Lexington, KY 40536, USA.
Acta Crystallogr C. 2004 Jan;60(Pt 1):o9-11. doi: 10.1107/s0108270103026520. Epub 2003 Dec 6.
The crystal structures of the title compounds, 2 alpha,4 alpha-dibenzyl-3 alpha-tropanol (2 alpha,4 alpha-dibenzyl-8-methyl-8-azabicyclo[3.2.1]octan-3 alpha-ol), C(22)H(27)NO, (I), and 2 alpha,4 alpha-dibenzyl-3 beta-tropanol (2 alpha,4 alpha-dibenzyl-8-methyl-8-azabicyclo[3.2.1]octan-3 beta-ol), C(22)H(27)NO, (II), show that both compounds have a piperidine ring in a chair conformation and a pyrrolidine ring in an envelope conformation. Isomer (I) is asymmetric, the benzyl groups having different orientations, whereas isomer (II) is mirror symmetric, and the N and O atoms, the C atom attached to the hydroxy group, and the methyl C atom attached to the N atom lie on the mirror plane. In the crystal structures of both (I) and (II), the molecules are linked together by intermolecular O-H...N hydrogen bonds to form chains that run parallel to the a direction in (I) and parallel to b in (II).
标题化合物2α,4α-二苄基-3α-托烷醇（2α,4α-二苄基-8-甲基-8-氮杂双环[3.2.1]辛烷-3α-醇），C(22)H(27)NO，（I），和2α,4α-二苄基-3β-托烷醇（2α,4α-二苄基-8-甲基-8-氮杂双环[3.2.1]辛烷-3β-醇），C(22)H(27)NO，（II）的晶体结构表明，这两种化合物均具有椅式构象的哌啶环和信封式构象的吡咯烷环。异构体（I）是不对称的，苄基具有不同的取向，而异构体（II）是镜面对称的，且N和O原子、连接羟基的C原子以及连接N原子的甲基C原子位于镜面上。在（I）和（II）的晶体结构中，分子通过分子间O-H...N氢键连接在一起，形成在（I）中平行于a方向且在（II）中平行于b方向延伸的链。
